SCHEMBL7803522

SCHEMBL7803522

COS(=O)(=O)[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
NFE2L2 Q16236 3/20 0.44
LMNA P02545 2/20 0.42
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2776611 0.78 PPARG (0.64) PPARGNFE2L2LMNATRPA1ALDH1A1
SCHEMBL13290905 0.78 PPARG (0.64) PPARGNFE2L2LMNATRPA1ALDH1A1
SCHEMBL28115705 0.77 PPARG (0.62) PPARGNFE2L2LMNAALDH1A1HTT
SCHEMBL525688 0.73 ALDH1A1 (0.43) PPARGNFE2L2LMNATRPA1ALDH1A1
SCHEMBL8074310 0.73 ALDH1A1 (0.39) LMNAALDH1A1CYP2A6HTTKDM4E
Styrene SCHEMBL16236539 0.71 PPARG (0.55) PPARGNFE2L2LMNAALDH1A1HTT
SCHEMBL4780708 0.70 PSIP1 (0.44) PPARGNFE2L2LMNAALDH1A1CYP2A6
SCHEMBL5333467 0.70 HSP90AA1 (0.41) LMNAALDH1A1CYP2A6HTTKMT2A
SCHEMBL28796892 0.69 TRPA1 (0.53) PPARGNFE2L2LMNATRPA1ALDH1A1
SCHEMBL971099 0.69 CA2 (0.46) LMNAALDH1A1CYP2A6MEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983064-A4 PYRROLES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2001-01-31 EP disclosed
EP-0983064-A1 PYRROLES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-03-08 EP disclosed
WO-1998025609-A1 PYRROLES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-18 WO disclosed